Geometry & MOs

Info

ID:	140493
PubChem CID:	52709661
Reduced:	FON2C22H28 (1)
Stoich.:	ABC2D22E28 (1)
Weight, g/mol:	383.233468
ΔH_f, kcal/mol:	-30.56
Dipole, Da:	4.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.975312
Charge, e:	1

Chem-info

IUPAC name:

ethyl-[4-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]-propan-2-ylazanium

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+](CC=C)CC2=CC=CC=C2F

DOS

IR

Vibrations